相关论文: Stable fourfold configurations for small vacancy c…

We investigate, within the envelope function approximation, the low-energy states of trions in graphene quantum dots. The presence of valley pseudospin in graphene as an electron degree of freedom apart from spin adds convolution to the…

Unusual physical properties of single-wall carbon nanotubes have started a search for similar tubular structures of other elements. In this paper, we present a theoretical analysis of single-wall nanotubes of silicon and group III-V…

Liquids are in thermal equilibrium and have a non-zero static structure factor S(Q->0) = [<N^2>-<N>^2]/<N> = rho*k_B*T*Chi_T where rho is the number density, T is the temperature, Q is the scattering vector and Chi_T is the isothermal…

Defects in wide-bandgap semiconductors provide a pathway for applications in quantum information and sensing in solid state materials. The silicon vacancy in silicon carbide has recently emerged as a new candidate for optical control of…

Only about 1,000 qualitatively different protein folds are believed to exist in nature. Here, we review theoretical studies which suggest that some folds are intrinsically more designable than others, {\it i.e.} are lowest energy states of…

Motivated by experimental hints for supersolidity in Helium-4, we perform Monte Carlo simulations of vacancies and interstitials in a classical two-and three-dimensional Lennard-Jones solid. We confirm a strong binding energy of vacancies…

In this work we present ab initio calculations of the formation energies and stability of different types of multi-vacancies in carbon nanotubes. We demonstrate that, as in the case of graphene, the reconstruction of the defects has drastic…

A class of highly symmetric silicon carbide fullerene-like cage nanoclusters with carbon atoms inside the Si_20 cage and with high stability are presented. The Generalized Gradient Approximation of Density Functional Theory (GGA-DFT) is…

We present further no-go theorems for classical de Sitter vacua in Type II string theory, i.e., de Sitter constructions that do not invoke non-perturbative effects or explicit supersymmetry breaking localized sources. By analyzing the…

Silicon carbide (SiC) hosts many interesting defects that can potentially serve as qubits for a range of advanced quantum technologies. Some of them have very interesting properties, making them potentially useful, e.g. as interfaces…

The stability of the multiple equilibrium states of a hexagram ring with six curved sides is investigated. Each of the six segments is a rod having the same length and uniform natural curvature. These rods are bent uniformly in the plane of…

Based on the color-spin interaction in diquarks, we argue why some multiquark configurations could be stable against strong decay when heavy quarks are included. After showing the stability of previously discussed states we identify new…

We show that skyrmions arising from compact five dimensional models have stable sizes. We numerically obtain the skyrmion configurations and calculate their size and energy. Although their size strongly depends on the magnitude of localized…

The hexagon approach provides an integrability framework for the computation of structure constants in $\mathcal{N}=4$ super Yang--Mills theory in four dimensions. Three-point functions are cut into two hexagonal patches, on which the…

We have located the global minimum for all lead clusters with up to 160 atoms using a glue potential to model the interatomic interactions. The lowest-energy structures are not face-centred cubic as suggested previously. Rather, for N<40…

One novel family of two-dimensional IV-V compounds have been proposed, whose dynamical stabilities and electronic properties have been systematically investigated using the density functional theory. Extending from our previous work, two…

The Li$_2$S-P$_2$S$_5$ pseudo-binary system has been a valuable source of promising superionic conductors, with $\alpha$-Li$_3$PS$_4$, $\beta$-Li$_3$PS$_4$, HT-Li$_7$PS$_6$, and Li$_7$P$_3$S$_{11}$ having excellent room temperature Li-ion…

The defect stability in a prototypical perovskite oxide superlattice consisting of SrTiO$_3$ and PbTiO$_3$ (STO/PTO) is determined using first principles density functional theory calculations. Specifically, the oxygen vacancy formation…

Single-loop elastic rings can be folded into multi-loop equilibrium configurations. In this paper, the stability of several such multi-loop states which are either circular or straight are investigated analytically and illustrated by…

Binary tin sulfides are appealing because of their simple stoichiometry and semiconducting properties and are potentially cost-effective optoelectronic materials. The multivalency of Sn allows yet more intermediate compositions,…